>compound Indole-3-carboxyaldehyde_Indole-3-carboxyaldehyde
#instrument UPLC Q-Tof Premier, Waters
>formula C9H7NO
#smiles O=Cc(c1)c(c2)c(ccc2)n1
#RECORD LC-ESI-QTOF_train_data/PR100508.txt;LC-ESI-QTOF_train_data/PR100509.txt;LC-ESI-QTOF_train_data/PR100986.txt;LC-ESI-QTOF_train_data/PR101043.txt;LC-ESI-QTOF_train_data/PR100054.txt;LC-ESI-QTOF_train_data/PR100985.txt
>charge -1
>ionization [M-H]-
>parentmass 144.04496

>collision 5-60
115.0437 104.1
116.0507 69.43
126.0357 68.36
144.045 2764.0
144.3465 124.1

>collision 30
65.9998 9.221
114.0349 18.51
115.042 114.7
116.0507 26.71
117.0346 6.507
126.0354 35.91
142.0314 11.42
144.045 122.5

>collision 30
65.9999 32.4
114.0352 66.0
115.0424 400.5
116.0507 90.91
117.0346 28.94
126.0344 110.5
142.0302 34.73
144.0449 453.0

>collision 5-60
91.0563 1745.0
117.0593 618.4
118.0656 3647.0
146.0606 1277.0

>collision 5-60
65.04 84.59
89.0403 82.38
90.0485 108.1
91.0556 1549.0
117.059 539.6
118.0652 3040.0
146.0606 1054.0

>collision 5-60
115.0453 364.2
144.0449 6234.0
144.3449 790.0

